Application of the MNDO/HB method for calculating systems with proton transfer in hydrogen bonds K. Ya. BurshteinA. N. Isaev OriginalPaper Pages: 347 - 351
Calculation of the potential surface for nucleophilic substitution reactions taking place by the SN 2 mechanism with allowance for solvation K. Ya. BurshteinA. N. Isaev OriginalPaper Pages: 352 - 356
Concept of the dipole moment of a bond and a method for calcualting this quantity L. A. GribovS. V. Kotov OriginalPaper Pages: 357 - 362
Algorithm for the calculation of the dipole moments of bonds in polyatomic compounds S. V. KotovV. L. Stepan'yanL. A. Gribov OriginalPaper Pages: 362 - 366
Quantum-chemical study of the influence of the electronegativity of substituents on the reactivity of β-chloroethylamine derivatives A. A. VoityukA. A. Bliznyuk OriginalPaper Pages: 367 - 371
Theoretical analysis of the adsorption of carbon on Ni (100) V. I. Avdeev OriginalPaper Pages: 371 - 375
Joint analysis of electron-diffraction and spectroscopic data for certain triatomic molecules: Allowance for kinetic anharmonicity A. G. GershikovE. Z. ZasorinV. P. Spiridonov OriginalPaper Pages: 375 - 379
Molecular structure of 2-isocyanato-1,3,2-dioxaphospholane by gas electron diffraction L. L. TuzovaV. Yu. NesterovR. I. Tarasova OriginalPaper Pages: 379 - 383
Raman spectra of hydroquinone clathrates. Part 1. Effects of guest-molecule size B. A. KolesovG. N. ChekhovaYu. A. Dyadin OriginalPaper Pages: 383 - 386
Approximate analytic expressions for integrating ESR spectra of randomly oriented particles having high g-factor tenso anisotropy S. V. KhangulovN. V. Voevodskaya OriginalPaper Pages: 387 - 390
Characteristics of the delocalized metal-ligand bonds in tetragonal complexes of Cu2+ according to the ESR spectra V. I. Murav'ev OriginalPaper Pages: 390 - 393
Investigation of some aminophosphonates by high-resolution NMR in the solid F. F. KhizbullinB. P. StruninV. D. Simonov OriginalPaper Pages: 394 - 398
Angular dependence of the photoelectron spectra of molecules with the second order Jahn-Teller effect I. Ya. Ogurtsov OriginalPaper Pages: 398 - 401
Investigation of the mechanism of fragment coordination of aromatic molecules with transition metals by photoelectron spectroscopy-tricarbonyliron complexes Yu. V. ChizhovM. M. TimoshenkoI. I. Kritskaya OriginalPaper Pages: 401 - 406
Stability and structure of a two-component crystal using a molecular dynamics model A. E. GalashevV. P. Skripov OriginalPaper Pages: 407 - 412
Theoretical structures for crystalline benzene. Part 5. Static equilibrium at negative pressures A. V. Dzyabchenko OriginalPaper Pages: 412 - 418
Change in the structure of water as a function of chain length of diphilic molecules and hydrocarbons Yu. A. Mirgorod OriginalPaper Pages: 418 - 423
Identification of certain photolysis products of Rhodamine 6G N. A. KuznetsovaO. L. KaliyaE. A. Lukyanets OriginalPaper Pages: 423 - 426
Crystal and molecular structure of ferric tris-(dipivaloylmethane), Fe (t-BuCOCHCO-t-Bu)3 I. A. BaidinaP. A. StabnikovS. V. Borisov OriginalPaper Pages: 427 - 434
Crystal structure of monoaquatetra (3,5-dimethylpyrazole)cupric perchlorate, [Cu(C5H8N2)4H2O](ClO4)2 N. V. PervukhinaN. V. PodberezskayaV. V. Bakakin OriginalPaper Pages: 434 - 438
Molecular and crystal structure of 1-diethylleneamidophosphoryl-2-trichlormethyl-Δ2-imidazolene A. A. MoiseenkoL. F. SukhodubV. Ya. Semenii OriginalPaper Pages: 438 - 443
Crystal and molecular structure of β-phenylvinylphosphonic acid V. V. TkachevL. O. AtovmyanL. M. Sergienko OriginalPaper Pages: 443 - 447
Heterocycles. 59. X-ray and spectral studies of 2-p-chlorophenyl-4-hydroxy-6-oxo-1,3-thiazine K. F. BelyaevaV. N. KuklinB. A. Ivin OriginalPaper Pages: 448 - 454
Composition of the solvation shell of paramagnetic ions of metals in aqueous-organic mixtures according to data from NMR and some other methods V. V. Matveev Reviews Pages: 455 - 471
Study of the structure of azatetrahedranes by quantum-chemical methods A. Yu. ShibaevYu. V. Puzanov Brief Cummunications Pages: 472 - 474
Electronic structure of MgO, CaO, and SrO in the crystalline-cluster method V. A. LobachA. B. SobolevB. V. Shul'gin Brief Communications Pages: 474 - 476
Program for the calculation of a starting multicenter muffin-tin potential and the electron density A. V. Bezel'A. B. SobolevV. A. Lobach Brief Communications Pages: 477 - 478
Effective Hamiltonian for calculating thermochemical and geometric parameters of organic molecules A. M. Gyul'maliev Brief Communications Pages: 478 - 481
Decrease in the observed1H-13C spin-spin coupling constants in the presence of paramagnetic relaxation reagents V. M. Nekipelov Brief Communications Pages: 481 - 484
Exafs spectroscopy applied to the immediate environments of the metal atoms in Co(III) and Ni(II) diethyldithiocarbamates and Ni(II) diethyldithiophosphates in benzene solution N. V. BauskL. N. MazalovS. V. Larionov Brief Communications Pages: 484 - 485
Structure of the olivine-like Li, Sc germanate LiScGeO4 E. A. GenkinaV. A. TimofeevaA. B. Bykov Brief Communications Pages: 488 - 489
Crystal and molecular structure of 3,3,9,9-tetramethyl-3,9-disila-2,4,8,10-tetraoxaspiro [5,5]undecane M. A. KhusainovA. E. ObodovskayaZ. A. Starikova Brief Communications Pages: 489 - 492
Molecular and crystal structure of 3-acetoxy-4-hydroxy-4-methyl-7-isopropenylselenopane M. G. KurellaL. G. VorontsovaO. S. Chizhov Brief Communications Pages: 492 - 495
X-ray crystallographic investigation of tricyclo [5.2.1.02,6] decane-2,6-diol M. G. KurellaM. O. DekaprilevichO. S. Chizhov Brief Communications Pages: 496 - 498
Refinement of the crystal structure of sodium acetate trihydrate V. A. EfremovN. O. EndeladzeV. K. Trunov Brief Communications Pages: 498 - 501
